methyl N-cyano-N'-[2-(pyrimidin-2-ylmethylsulfanyl)ethyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[2-(pyrimidin-2-ylmethylsulfanyl)ethyl]carbamimidothioate Openeye Name: 1-cyano-2-methyl-3-[2-(pyrimidin-2-ylmethylsulfanyl)ethyl]isothiourea CAS Name: N-cyano-N'-[2-(2-pyrimidinylmethylthio)ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[2-(pyrimidin-2-ylmethylsulfanyl)ethyl]carbamimidothioate Traditional Name: 1-cyano-2-methyl-3-[2-(2-pyrimidylmethylthio)ethyl]isothiourea Formula: C10H13N5S2 MolecularWeight: 267.37372

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCSCC1=NC=CC=N1)NC#N

Isomeric SMILES

CSC(=NCCSCC1=NC=CC=N1)NC#N

InChI

InChI=1S/C10H13N5S2/c1-16-10(15-8-11)14-5-6-17-7-9-12-3-2-4-13-9/h2-4H,5-7H2,1H3,(H,14,15)